Multi-well potentials are ubiquitous in science, modeling phenomena such as phase transitions, dynamic instabilities, and multimodal behavior across physics, chemistry, and biology. In contrast to non-smooth minimum-of-mixture representations, we propose a differentiable and convex formulation based on a log-sum-exponential (LSE) mixture of input convex neural network (ICNN) modes. This log-sum-exponential input convex neural network (LSE-ICNN) provides a smooth surrogate that retains convexity within basins and allows for gradient-based learning and inference. A key feature of the LSE-ICNN is its ability to automatically discover both the number of modes and the scale of transitions through sparse regression, enabling adaptive and parsimonious modeling. We demonstrate the versatility of the LSE-ICNN across diverse domains, including mechanochemical phase transformations, microstructural elastic instabilities, conservative biological gene circuits, and variational inference for multimodal probability distributions. These examples highlight the effectiveness of the LSE-ICNN in capturing complex multimodal landscapes while preserving differentiability, making it broadly applicable in data-driven modeling, optimization, and physical simulation.

We propose a data-driven, user-centric vehicle-to-grid (V2G) methodology based on multi-objective optimization to balance battery degradation and V2G revenue according to EV user preference. Given the lack of accurate and generalizable battery degradation models, we leverage input convex neural networks (ICNNs) to develop a data-driven degradation model trained on extensive experimental datasets. This approach enables our model to capture nonconvex dependencies on battery temperature and time while maintaining convexity with respect to the charging rate. Such a partial convexity property ensures that the second stage of our methodology remains computationally efficient. In the second stage, we integrate our data-driven degradation model into a multi-objective optimization framework to generate an optimal smart charging profile for each EV. This profile effectively balances the trade-off between financial benefits from V2G participation and battery degradation, controlled by a hyperparameter reflecting the user prioritization of battery health. Numerical simulations show the high accuracy of the ICNN model in predicting battery degradation for unseen data. Finally, we present a trade-off curve illustrating financial benefits from V2G versus losses from battery health degradation based on user preferences and showcase smart charging strategies under realistic scenarios.

Leveraging Input Convex Neural Networks (ICNNs), ICNN-based Model Predictive Control (MPC) successfully attains globally optimal solutions by upholding convexity within the MPC framework. However, current ICNN architectures encounter the issue of vanishing/exploding gradients, which limits their ability to serve as deep neural networks for complex tasks. Additionally, the current neural network-based MPC, including conventional neural network-based MPC and ICNN-based MPC, faces slower convergence speed when compared to MPC based on first-principles models. In this study, we leverage the principles of ICNNs to propose a novel Input Convex LSTM for Lyapunov-based MPC, with the specific goal of reducing convergence time and mitigating the vanishing/exploding gradient problem while ensuring closed-loop stability. From a simulation study of a nonlinear chemical reactor, we observed a mitigation of vanishing/exploding gradient problem and a reduction in convergence time, with a percentage decrease of 46.7%, 31.3%, and 20.2% compared to baseline plain RNN, plain LSTM, and Input Convex Recurrent Neural Networks, respectively.

The Monge-Amp\`ere equation is a fully nonlinear partial differential equation (PDE) of fundamental importance in analysis, geometry and in the applied sciences. In this paper we solve the Dirichlet problem associated with the Monge-Amp\`ere equation using neural networks and we show that an ansatz using deep input convex neural networks can be used to find the unique convex solution. As part of our analysis we study the effect of singularities and noise in the source function, we consider nontrivial domains, and we investigate how the method performs in higher dimensions. We also compare this method to an alternative approach in which standard feed-forward networks are used together with a loss function which penalizes lack of convexity.

Wasserstein barycenters provide a geometric notion of the weighted average of probability measures based on optimal transport. In this paper, we present a scalable algorithm to compute Wasserstein-2 barycenters given sample access to the input measures, which are not restricted to being discrete. While past approaches rely on entropic or quadratic regularization, we employ input convex neural networks and cycle-consistency regularization to avoid introducing bias. As a result, our approach does not resort to minimax optimization. We provide theoretical analysis on error bounds as well as empirical evidence of the effectiveness of the proposed approach in low-dimensional qualitative scenarios and high-dimensional quantitative experiments.

In this paper, we present a novel and principled approach to learn the optimal transport between two distributions, from samples. Guided by the optimal transport theory, we learn the optimal Kantorovich potential which induces the optimal transport map. This involves learning two convex functions, by solving a novel minimax optimization. Building upon recent advances in the field of input convex neural networks, we propose a new framework where the gradient of one convex function represents the optimal transport mapping. Numerical experiments confirm that we learn the optimal transport mapping. This approach ensures that the transport mapping we find is optimal independent of how we initialize the neural networks. Further, target distributions from a discontinuous support can be easily captured, as gradient of a convex function naturally models a {\em discontinuous} transport mapping.

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